SCHEMBL12697477

SCHEMBL12697477

NN(Cl)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.50
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SRD5A2 P31213 4/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA3 P07451 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL10371035 0.76 TSHR (0.52) TSHRTP53ALOX15KMT2AALDH1A1
SCHEMBL2029621 0.75 TSHR (0.67) TSHRTP53ALOX15KMT2AALDH1A1
SCHEMBL17040204 0.75 TSHR (0.67) TSHRTP53ALOX15KMT2AALDH1A1
SCHEMBL22972761 0.75 TSHR (0.67) TSHRTP53ALOX15KMT2AALDH1A1
Terephthalic Acid SCHEMBL11858116 0.74 TSHR (0.86) TSHRTP53ALOX15ALDH1A1SRD5A2
Terephthalic Acid SCHEMBL27400233 0.74 TSHR (0.86) TSHRTP53ALOX15ALDH1A1SRD5A2
Terephthalic Acid SCHEMBL2511919 0.74 TSHR (1.00) TSHRTP53ALOX15ALDH1A1SRD5A2
Terephthalic Acid SCHEMBL175823 0.74 TSHR (1.00) TSHRTP53ALOX15ALDH1A1SRD5A2
Terephthalic Acid SCHEMBL5053781 0.74 TSHR (1.00) TSHRTP53ALOX15ALDH1A1SRD5A2
Terephthalic Acid SCHEMBL1655 0.74 TSHR (1.00) TSHRTP53ALOX15ALDH1A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
EP-2370428-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-08-10 EP disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 US disclosed
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection RESPIVERT LIMITED (GB) 2016-02-18 US disclosed
EP-2556065-B1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2014-12-17 EP disclosed
US-8299073-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD. (GB) 2012-09-27 US disclosed
US-20110294812-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-12-01 US disclosed
WO-2010067131-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R TSHR 1021/4885TP53 2894/4885ALOX15 786/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R TSHR 1021/4885TP53 2894/4885ALOX15 786/4885
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, TTK TSHR 3373/4885TP53 326/4885ALOX15 4459/4885
US-20110294812-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 TSHR 3669/4885TP53 2881/4885ALOX15 2524/4885
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection HCK, CDK9, TTK TSHR 3373/4885TP53 326/4885ALOX15 4459/4885

“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.