SCHEMBL15445330

SCHEMBL15445330

CC(=O)[C@@H](N)Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
SLC7A5 Q01650 5/20 0.43
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
ADRA1D P25100 1/20 0.43
GRIA2 P42262 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 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
SCHEMBL15441969 0.89 SLC7A5 (0.57) ALDH1A1GAAHSD17B10NOS3NOS1
SCHEMBL31009751 0.89 SLC7A5 (0.57) ALDH1A1GAAHSD17B10NOS3NOS1
SCHEMBL15441968 0.89 SLC7A5 (0.57) ALDH1A1GAAHSD17B10NOS3NOS1
Hydrochloric Acid SCHEMBL30999653 0.88 NOS3 (0.56) ALDH1A1GAAHSD17B10NOS3NOS1
Hydrochloric Acid SCHEMBL20680181 0.88 NOS3 (0.56) ALDH1A1GAAHSD17B10NOS3NOS1
Hydrochloric Acid SCHEMBL20703400 0.88 NOS3 (0.56) ALDH1A1GAAHSD17B10NOS3NOS1
SCHEMBL12718972 0.85 SLC7A5 (0.49) ALDH1A1GAAHSD17B10NOS3NOS1
SCHEMBL879316 0.85 SLC7A5 (0.49) ALDH1A1GAAHSD17B10NOS3NOS1
SCHEMBL8823287 0.85 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10NOS3NOS1
SCHEMBL31753168 0.84 SLC7A5 (0.42) ALDH1A1GAAHSD17B10NOS3NOS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US disclosed
US-9708303-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof SARCODE BIOSCIENCE INC. (US) 2017-07-18 US disclosed
US-20150336939-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2015-11-26 US disclosed
US-9085553-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof SARcode Bioscience, Inc. (US) 2015-07-21 US disclosed
US-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2014-01-30 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 (3 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-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ALDH1A1 62/4885GAA 490/4885HSD17B10 3420/4885
US-20150336939-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ALDH1A1 62/4885GAA 490/4885HSD17B10 3420/4885
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ALDH1A1 62/4885GAA 490/4885HSD17B10 3420/4885

“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.