Sugi Predict

Sugi Predict / Compounds / SCHEMBL1954

SCHEMBL1954

SCHEMBL1954

[NH]C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ KIF11 P52732 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTR1A P08908 1/20 0.40

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
SCHEMBL871450 0.84 ESR1 (0.55) ESR1ESR2KIF11CRHBPCRHR2
SCHEMBL3990914 0.83 ESR1 (0.59) ESR1ESR2KIF11CRHBPCRHR2
SCHEMBL28752431 0.83 ESR1 (0.59) ESR1ESR2KIF11CRHBPCRHR2
SCHEMBL871451 0.81 ESR1 (0.57) ESR1ESR2KIF11CRHBPCRHR2
SCHEMBL28752433 0.79 ESR1 (0.55) ESR1ESR2KIF11CRHBPCRHR2
SCHEMBL18657153 0.79 ESR1 (0.55) ESR1ESR2KIF11CRHBPCRHR2
Hydrochloric Acid SCHEMBL11846585 0.79 ESR1 (0.55) ESR1ESR2KIF11CRHBPCRHR2
SCHEMBL28196464 0.79 ESR1 (0.55) ESR1ESR2KIF11CRHBPCRHR2
Hydroxyl Radical SCHEMBL3364688 0.78 LMNA (0.45) ESR1ESR2CYP2D6SRCLMNA
SCHEMBL1998001 0.78 HCAR2 (0.58) CYP2D6SRCLMNAMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005507-A1 Process for the fragmentation of 3-(2-hydroxyimino-acetylamino)-2-oxo azetidin compounds and compounds obtained thereby CIBA-GEIGY AG (CH) 1979-11-28 — — EP claimed
US-4073902-A ANTIMICROBIAL COMPOUNDS CIBA-GEIGY CORPORATION (US) 1978-02-14 — — US claimed
EP-2464623-B1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2020-11-04 — — EP disclosed
WO-2019078171-A1 METHOD FOR CONCENTRATING OR SEPARATING POLYMER COMPOUND 国立大学法人京都大学 2019-04-25 — — WO disclosed
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 — — US disclosed
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-23 — — US disclosed
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-19 — — US disclosed
US-8901171-B2 Compounds for suppressing a peripheral nerve disorder induced by an anti-cancer agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 — — US disclosed
US-8779198-B2 Ring opening of lactones and lactams NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-26 — — US disclosed
US-8507673-B2 Process for preparing 5,7 diaminopyrazolo [1,5-A] pyrimidine compounds EMORY UNIVERSITY (US) 2013-08-13 — — US disclosed
US-4070477-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1978-01-24 — — US disclosed
US-4069324-A CEPHALOSPORIN ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1978-01-17 — — US disclosed
US-4053469-A BACTERICIDES SHIONOGI & CO., LTD. (JA) 1977-10-11 — — US disclosed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 — — US disclosed
US-4014874-A Process for the manufacture of 3-substituted thiomethyl-7-amino-2-cephem-4-carboxylic acid compound CIBA-GEIGY CORPORATION (US) 1977-03-29 — — US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 — — US disclosed
US-3987039-A ANTIBACTERIAL SHIONOGI & CO., LTD. (JA) 1976-10-19 — — US disclosed
US-3936452-A Process of producing pyrimidyl thiocarbonates NITTO BOSEKI CO., LTD. (JA) 1976-02-03 — — US disclosed
US-3932375-A PROTECTING GROUPS NITTO BOSEKI CO. LTD. (JA) 1976-01-13 — — 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 (4 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-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF ESR1 4657/4885ESR2 3902/4885KIF11 484/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF ESR1 4657/4885ESR2 3902/4885KIF11 484/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF ESR1 4657/4885ESR2 3902/4885KIF11 484/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF ESR1 4657/4885ESR2 3902/4885KIF11 484/4885

“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.