SCHEMBL10192111

SCHEMBL10192111

Cc1cccc(NC(=O)OC(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.69
HPGD P15428 2/20 0.69
KDM4E B2RXH2 1/20 0.62
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 2/20 0.57
FAAH O00519 1/20 0.57
CYP3A4 P08684 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
KCNK3 O14649 1/20 0.54
KCNH2 Q12809 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL22500626 0.86 HSD17B10 (0.54) ALOX15HPGDHSD17B10MEN1KMT2A
SCHEMBL30375214 0.86 HSD17B10 (0.54) ALOX15HPGDHSD17B10MEN1KMT2A
SCHEMBL10192047 0.84 ALOX15 (0.58) ALOX15HPGDHSD17B10MEN1KMT2A
SCHEMBL10749929 0.83 HPGD (0.69) ALOX15HPGDKDM4EMEN1KMT2A
SCHEMBL31331879 0.83 HPGD (0.69) ALOX15HPGDKDM4EMEN1KMT2A
SCHEMBL10192045 0.83 HSD17B10 (0.51) ALOX15HPGDKDM4EHSD17B10MEN1
SCHEMBL12812645 0.83 KDM4E (0.55) ALOX15HPGDKDM4EKMT2AALDH1A1
SCHEMBL30589563 0.82 ALDH1A1 (0.79) HPGDHSD17B10MEN1KMT2ARXFP1
SCHEMBL20718077 0.82 KDM4E (0.60) ALOX15HPGDKDM4EMEN1KMT2A
SCHEMBL2095614 0.82 ALDH1A1 (0.79) HPGDHSD17B10MEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4029490-A BENZYLTHIOLCARBAMATE ISHIHARA SANGYO KAISHA LTD. (JA) 1977-06-14 US claimed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
US-20210323913-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-21 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
US-4386033-A BOILING, CONDENSATION OF VAPORS, CIRCULATION; SEPARATION BAYER AKTIENGESELLSCHAFT (DE) 1983-05-31 US disclosed
US-4029490-A BENZYLTHIOLCARBAMATE ISHIHARA SANGYO KAISHA LTD. (JA) 1977-06-14 US disclosed
US-3938986-A ISOPROPYL N-PHENYLCARBAMATE OR ISOPROPYL N-(3-CHLOROPHENYL)CARBAMATE AND 4-CHLOROPHENYL N-METHYLCARBAMATE PPG INDUSTRIES, INC. (US) 1976-02-17 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 (6 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 ALOX15 1212/4885HPGD 3067/4885KDM4E 433/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ALOX15 863/4885HPGD 1342/4885KDM4E 3422/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALOX15 1074/4885HPGD 1033/4885KDM4E 3703/4885
US-20210323913-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 ALOX15 3527/4885HPGD 3786/4885KDM4E 3216/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALOX15 2732/4885HPGD 3255/4885KDM4E 4020/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALOX15 2732/4885HPGD 3255/4885KDM4E 4020/4885

“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.