SCHEMBL3876173

SCHEMBL3876173

Nc1ccc(Cl)c(I)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
CYP3A4 P08684 5/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
ADORA2A P29274 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL12228594 0.81 TSHR (0.36) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL17649942 0.77 TSHR (0.40) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL27540955 0.75 TSHR (0.39) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL3870951 0.75 TSHR (0.39) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL30216043 0.75 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL14964653 0.75 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL159338 0.75 TSHR (0.39) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL29435968 0.75 TSHR (0.39) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL18935880 0.73 NOTUM (0.40) TSHRCYP3A4ALDH1A1MAPK1CA12
SCHEMBL7460667 0.71 CA1 (0.43) TSHRCYP3A4TP53ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498693-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-10-30 EP disclosed
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
CN-109790122-B Heterocyclic compounds 武田药品工业株式会社 2022-06-24 CN disclosed
US-10696651-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-30 US disclosed
EP-3498693-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-06-19 EP disclosed
US-20190169166-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-06 US disclosed
US-20140058129-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8586782-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-11-19 US disclosed
US-8362294-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20130012585-A1 Phenylacetic Acid Derivatives MONOVICH LAUREN G (US) 2013-01-10 US disclosed
EP-2046723-B1 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2012-07-18 EP disclosed
US-20090209648-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2009-08-20 US disclosed
CN-101479231-A Phenylacetic acid derivatives as COX-2 inhibitors NOVARTIS AG (CH) 2009-07-08 CN disclosed
EP-2046723-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
WO-2008002853-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2008-01-03 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 (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-20140058129-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 TSHR 2476/4885CYP3A4 86/4885TP53 2901/4885
US-10696651-B2 Heterocyclic compound EIF2AK4, GCN1, GTF2I TSHR 4596/4885CYP3A4 4156/4885TP53 1502/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I TSHR 4596/4885CYP3A4 4156/4885TP53 1502/4885
US-20130012585-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 TSHR 2476/4885CYP3A4 86/4885TP53 2901/4885
US-20090209648-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, PTGER2 TSHR 2586/4885CYP3A4 82/4885TP53 2891/4885

“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.