SCHEMBL5206561

SCHEMBL5206561

O=C(O)c1ccccc1C(=O)Nc1nccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
ALDH1A1 P00352 4/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
GAA P10253 2/20 0.71
HPGD P15428 2/20 0.66
PKM P14618 1/20 0.66
CYP3A4 P08684 2/20 0.65
PTGS1 P23219 1/20 0.65
LMNA P02545 1/20 0.63
METAP2 P50579 1/20 0.63
METAP1 P53582 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALOX15 P16050 1/20 0.63
MAPK1 P28482 1/20 0.63
SCD O00767 1/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL3278951 0.84 CYP1A2 (0.73) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27702357 0.83 NPC1 (0.72) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30339352 0.83 NPC1 (1.00) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30339046 0.83 CYP3A4 (0.81) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL24072353 0.83 CYP3A4 (0.81) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL24074621 0.83 NPC1 (1.00) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL419202 0.83 CYP1A2 (0.71) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL995829 0.82 NPC1 (1.00) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10352488 0.82 CYP1A2 (0.69) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
Bromide SCHEMBL27891481 0.82 NPC1 (0.70) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 EP disclosed
US-11045476-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2020-06-18 US disclosed
US-10166237-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 US disclosed
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 US disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (8 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885NPC1 122/4885RAB9A 1478/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885NPC1 122/4885RAB9A 1478/4885
US-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 CYP1A2 3254/4885NPC1 3340/4885RAB9A 3332/4885
US-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 CYP1A2 3874/4885NPC1 3474/4885RAB9A 3139/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 CYP1A2 3874/4885NPC1 3474/4885RAB9A 3139/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 CYP1A2 3254/4885NPC1 3340/4885RAB9A 3332/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 CYP1A2 3874/4885NPC1 3474/4885RAB9A 3139/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP1A2 362/4885NPC1 86/4885RAB9A 1258/4885

“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.