SCHEMBL3716265

SCHEMBL3716265

CC(C)(C)NC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
NR1H4 Q96RI1 3/20 0.50
EPHX2 P34913 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2C9 P11712 1/20 0.50
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
S100B P04271 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL17865779 0.91 LMNA (0.58) LMNAHTTSMN1; SMN2CYP2C9EPHX1
SCHEMBL408310 0.84 CYP2C9 (0.67) LMNAHTTSMN1; SMN2CYP2C9EPHX1
SCHEMBL2522600 0.84 LMNA (0.53) SRD5A2LMNAHTTSMN1; SMN2CYP2C9
SCHEMBL2905374 0.83 NPC1 (0.57) NR1H4EPHX2SMN1; SMN2GAA
SCHEMBL21611105 0.83 SRD5A2 (0.50) SRD5A2TP53TSHRNR1H4EPHX2
SCHEMBL22458909 0.83 KDM4E (0.44) TP53LMNASMN1; SMN2CYP2C9EPHX1
SCHEMBL13701770 0.83 HDAC2 (0.59) TSHRLMNAHTTNR1H4EPHX2
Hydrochloric Acid SCHEMBL22076570 0.83 CYP2C9 (0.65) LMNAHTTSMN1; SMN2CYP2C9EPHX1
SCHEMBL2264435 0.83 ALDH1A1 (0.61) TP53LMNAHTTSMN1; SMN2ALDH1A1
Bromide SCHEMBL6851253 0.83 CYP2C9 (0.65) LMNAHTTSMN1; SMN2CYP2C9EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase Phenex Discovery Verwaltungs-GmbH (DE) 2021-08-03 US disclosed
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-26 US disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-6001880-A DISUBSTITUTED N-(2-DIALKYLAMINOETHYL)BENZAMIDE DERIVATIVES OF GIVEN FORMULA; ANTIBACTERIAL ACTIVITY AGAINST HELICOBACTER PYROLI, ADMINISTERING FOR THE PREVENTION OR CURE OF PEPTIC ULCERS SHISEIDO CO., LTD. (JP) 1999-12-14 US disclosed
EP-0875501-A2 Alkylenediamine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1998-11-04 EP 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 (5 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR SRD5A2 943/4885TP53 878/4885TSHR 4423/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B SRD5A2 464/4885TP53 565/4885TSHR 4178/4885
US-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT SRD5A2 590/4885TP53 3308/4885TSHR 2457/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B SRD5A2 562/4885TP53 4782/4885TSHR 911/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SRD5A2 590/4885TP53 3308/4885TSHR 2457/4885

“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.