SCHEMBL7947897

SCHEMBL7947897

NC(=O)c1cc(I)cc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.55
TPMT P51580 4/20 0.48
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8366010 0.88 DHODH (0.65) DHODHTPMTCA12CA1CA2
SCHEMBL1498158 0.88 DHODH (0.65) DHODHTPMTCA12CA1CA2
SCHEMBL1951073 0.88 TPMT (0.59) TPMTCA12CA1CA2CA7
SCHEMBL17064144 0.85 CYP3A4 (0.43) DHODHTPMTCA2MAPTHSD17B10
SCHEMBL3898643 0.85 DHODH (0.63) DHODHTPMTCA12CA1CA2
SCHEMBL422824 0.83 TPMT (0.59) TPMTCA12CA1CA2CA7
SCHEMBL1804169 0.79 DHODH (0.57) DHODHTPMTCA12CA1CA2
SCHEMBL1804171 0.79 CA12 (0.68) DHODHCA12CA1CA2CA7
SCHEMBL3661752 0.79 DHODH (0.57) DHODHTPMTCA12CA1CA2
SCHEMBL1947967 0.77 HCAR1 (0.59) TPMTCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781563-B1 HPK1 INHIBITORS, PREPARATION METHOD AND APPLICATION THEREOF ZHUHAI YUFAN BIOTECHNOLOGIES CO LTD (CN) 2022-06-29 EP disclosed
US-20210276994-A1 HPK1 INHIBITORS, PREPARATION METHOD AND APPLICATION THEREOF Guangzhou Yufan Nantu Biotechnologies Co., Ltd (CN) 2021-09-09 US disclosed
WO-2010036814-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-04-01 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 (1 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-20210276994-A1 HPK1 INHIBITORS, PREPARATION METHOD AND APPLICATION THEREOF PGK1, HK1, PDXK DHODH 2831/4885TPMT 2758/4885CA12 4667/4885

“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.