SCHEMBL21032467

SCHEMBL21032467

O=C1CS(=O)(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.41
VEGFA P15692 1/20 0.40
ATM Q13315 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
PIK3R3 Q92569 1/20 0.39
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SLC40A1 Q9NP59 2/20 0.36
KCNN4 O15554 6/20 0.36
CTSL P07711 1/20 0.36
GPR3 P46089 1/20 0.34
NFKBIA P25963 2/20 0.34
RELA Q04206 2/20 0.34

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
SCHEMBL30481781 1.00 TDP2 (0.41) TDP2VEGFAATMPIK3CDPIK3R2
SCHEMBL21032158 0.86 VEGFA (0.50) TDP2VEGFAATMPARP1PARP10
SCHEMBL16283448 0.83 ALDH1A1 (0.43) VEGFACA1CA2RELA
SCHEMBL30601556 0.73 S100A4 (0.42) TDP2VEGFAPIK3CDPIK3R2PIK3CA
SCHEMBL10422386 0.73 CHEK1 (0.44) VEGFACA1CA2SLC40A1
SCHEMBL16283442 0.69 LMNA (0.40) VEGFACA1CA2
SCHEMBL7287653 0.69 CA12 (0.57) TDP2CA1CA2SLC40A1NFKBIA
SCHEMBL16283445 0.69 VEGFA (0.47) VEGFAATMCA1CA2RELA
SCHEMBL576887 0.69 SLC40A1 (0.39) TDP2ATMPARP1PARP10CA1
SCHEMBL10422692 0.69 PLCG1 (0.54) TDP2ATMCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-10800765-B2 Indole derivative used as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-10-13 US disclosed
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-08-15 US disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP 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 (2 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-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 TDP2 2697/4885VEGFA 4789/4885ATM 2362/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 TDP2 2697/4885VEGFA 4789/4885ATM 2362/4885

“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.