SCHEMBL164097

SCHEMBL164097

C=CCOC(=O)SCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.58
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP1 P29466 2/20 0.40
CA12 O43570 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
SCHEMBL1722103 0.79 IDO1 (0.65) IDO1ALDH1A1NOS3NOS1NOS2
SCHEMBL10066809 0.77 IDO1 (0.63) IDO1ALDH1A1NOS3NOS1NOS2
SCHEMBL19473645 0.77 IDO1 (0.63) IDO1ALDH1A1TSHRSMN1; SMN2NOS3
SCHEMBL7081788 0.76 IDO1 (0.61) IDO1NOS3NOS1NOS2TDP1
SCHEMBL11867635 0.75 CYP3A4 (0.45) IDO1CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL11874867 0.75 CYP3A4 (0.45) IDO1CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL26127980 0.75 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10PKM
Phenylacetaldehyde SCHEMBL28517306 0.75 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL22524988 0.74 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRHSD17B10NPSR1
SCHEMBL203679 0.74 ALDH1A1 (0.61) CYP3A4ALDH1A1TSHRHSD17B10PKM

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 1897 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3063164-B1 SYNTHETIC ROUTE TO 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES OTSUKA PHARMA CO LTD (JP) 2018-12-05 EP claimed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
US-12037355-B2 Triterpene saponin analogues ADJUVANCE TECHNOLOGIES, INC. (US) 2024-07-16 US disclosed
WO-2024147060-A1 NOVEL IONIZABLE LIPID COMPOUNDS FOR NUCLEIC ACID DELIVERY CELON PHARMA S.A. (PL) 2024-07-11 WO disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
EP-4398254-A2 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING Memorial Sloan Kettering Cancer Center (US) 2024-07-10 EP disclosed
WO-2006138380-A2 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-12-28 WO disclosed
US-20060287520-A1 Synthesis of salinosporamide A and analogues thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-12-21 US disclosed
WO-2006124902-A2 SYNTHESIS OF SALINOSPORAMIDE A AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-11-23 WO disclosed
WO-2006102097-A2 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-28 WO disclosed
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-12-22 US disclosed
WO-2005112945-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-12-01 WO 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-20050282787-A1 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC IDO1 1844/4885CYP3A4 1517/4885ALDH1A1 4455/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 IDO1 1297/4885CYP3A4 4157/4885ALDH1A1 2867/4885
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 IDO1 4569/4885CYP3A4 4796/4885ALDH1A1 2344/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 IDO1 1527/4885CYP3A4 875/4885ALDH1A1 4404/4885
US-12037355-B2 Triterpene saponin analogues LSS, NFATC1, PGGT1B IDO1 579/4885CYP3A4 724/4885ALDH1A1 4821/4885
US-20060287520-A1 Synthesis of salinosporamide A and analogues thereof PSMB5, ERG28, PSMB11 IDO1 2476/4885CYP3A4 4089/4885ALDH1A1 2428/4885

“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.