SCHEMBL4546544

SCHEMBL4546544

CS(=O)(=O)c1cccc(C[C@H](N)C(=O)OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC15A1 P46059 1/20 0.43
SLC7A5 Q01650 3/20 0.43
CA1 P00915 3/20 0.43
GRIA2 P42262 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15445353 1.00 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10LMNAMEN1
Hydrochloric Acid SCHEMBL28520452 0.99 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10LMNAMEN1
Hydrochloric Acid SCHEMBL28270682 0.99 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10LMNAMEN1
SCHEMBL31753168 0.87 SLC7A5 (0.42) ALDH1A1GAAHSD17B10SLC7A5CA1
SCHEMBL16978741 0.86 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10LMNAMEN1
SCHEMBL12718972 0.85 SLC7A5 (0.49) ALDH1A1GAAHSD17B10MEN1KMT2A
SCHEMBL879316 0.85 SLC7A5 (0.49) ALDH1A1GAAHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL28435547 0.84 ALDH1A1 (0.48) ALDH1A1GAAHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL28435545 0.84 ALDH1A1 (0.48) ALDH1A1GAAHSD17B10MEN1KMT2A
SCHEMBL15441969 0.84 SLC7A5 (0.57) ALDH1A1GAAHSD17B10SLC7A5GRIA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776984-A Preparation method of ritalst intermediate 浙江博崤生物制药有限公司 2024-03-29 CN claimed
CN-117776984-B Litaset in Litaset Process for the preparation of intermediates 浙江博崤生物制药有限公司 2026-04-03 CN disclosed
CN-117776984-A Preparation method of ritalst intermediate 浙江博崤生物制药有限公司 2024-03-29 CN disclosed
CN-117776984-A Preparation method of ritalst intermediate 浙江博崤生物制药有限公司 2024-03-29 CN disclosed
EP-3807268-B1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON SPA (IT) 2024-01-24 EP disclosed
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF BAUSCH + LOMB IRELAND LIMITED (IE) 2023-10-19 US disclosed
US-11498917-B2 Process for the preparation of lifitegrast OLON S.P.A. (IT) 2022-11-15 US disclosed
US-11246862-B2 Process for the preparation of lifitegrast MANKIND PHARMA LTD. (IN) 2022-02-15 US disclosed
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON S.P.A. (IT) 2021-08-12 US disclosed
US-11001574-B2 Process to obtain a tetrahydroisoquinoline derivative MEDICHEM S.A. (ES) 2021-05-11 US disclosed
US-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2014-01-30 US disclosed
WO-2014018748-A1 LFA-1 INHIBITOR AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2014-01-30 WO disclosed
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARcode Bioscience, Inc. (US) 2013-06-13 US disclosed
US-20130144063-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE BIOSCIENCE INC. (US) 2013-06-06 US disclosed
US-8378105-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-19 US disclosed
US-8367701-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-05 US disclosed
US-20120107404-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE BIOSCIENCE INC. (US) 2012-05-03 US disclosed
US-8080562-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2011-12-20 US disclosed
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE CORPORATION (US) 2011-04-21 US disclosed
US-20090298869-A1 Crystalline pharmaceutical and methods of preparation and use thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2009-12-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11246862-B2 Process for the preparation of lifitegrast LIFR, PTGFR, CSF1R ALDH1A1 1516/4885GAA 212/4885HSD17B10 2284/4885
US-20120107404-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 ALDH1A1 90/4885GAA 424/4885HSD17B10 2060/4885
US-11498917-B2 Process for the preparation of lifitegrast LIFR, FLT3, F12 ALDH1A1 2375/4885GAA 2413/4885HSD17B10 4209/4885
US-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ALDH1A1 62/4885GAA 490/4885HSD17B10 3420/4885
US-20130144063-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 ALDH1A1 90/4885GAA 424/4885HSD17B10 2060/4885
US-20090298869-A1 Crystalline pharmaceutical and methods of preparation and use thereof VCAM1, ICAM1, HLA-DRB1 ALDH1A1 90/4885GAA 424/4885HSD17B10 2060/4885
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST LIFR, FLT3, F12 ALDH1A1 2375/4885GAA 2413/4885HSD17B10 4209/4885
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 ALDH1A1 90/4885GAA 424/4885HSD17B10 2060/4885
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 ALDH1A1 90/4885GAA 424/4885HSD17B10 2060/4885
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 ALDH1A1 90/4885GAA 424/4885HSD17B10 2060/4885
US-11001574-B2 Process to obtain a tetrahydroisoquinoline derivative KCNQ5, KCNQ4, KCNQ2 ALDH1A1 2629/4885GAA 1109/4885HSD17B10 389/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.