SCHEMBL16187970

SCHEMBL16187970

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.68
HSD17B3 P37058 1/20 0.68
PTPN5 P54829 1/20 0.68
UQCRB P14927 3/20 0.65
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
PSD A5PKW4 1/20 0.56
HDAC3 O15379 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56

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
SCHEMBL16187961 0.86 UQCRB (0.64) HSD17B2PTPN5UQCRBCA1CA2
SCHEMBL17849569 0.84 MAPT (0.58) HSD17B2PTPN5UQCRBCA1CA2
SCHEMBL10013443 0.83 PTPN5 (0.68) HSD17B2PTPN5UQCRBCA1CA2
SCHEMBL208685 0.82 UQCRB (0.67) HSD17B2PTPN5UQCRBCA1CA2
SCHEMBL17849562 0.81 HSD17B2 (0.58) HSD17B2UQCRBCA1CA2MEN1
SCHEMBL15121254 0.81 PTPN5 (1.00) HSD17B2PTPN5UQCRBCA1CA2
SCHEMBL7523467 0.81 HSD17B3 (0.73) HSD17B2HSD17B3CA1CA2HSP90AA1
SCHEMBL812679 0.80 ALDH1A1 (0.83) PTPN5UQCRBCA1CA2MEN1
SCHEMBL7178237 0.79 UQCRB (1.00) HSD17B2PTPN5UQCRBCA1CA2
SCHEMBL19281326 0.78 PTPN5 (0.81) PTPN5UQCRBCA1CA2MEN1

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
US-9371286-B2 Pharmaceutical composition with enhanced efficacy for inhibiting angiogenesis INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-21 US disclosed
US-9371286-B2 Pharmaceutical composition with enhanced efficacy for inhibiting angiogenesis INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-21 US disclosed
US-20140315947-A1 PHARMACEUTICAL COMPOSITION WITH ENHANCED EFFICACY FOR INHIBITING ANGIOGENESIS INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-10-23 US disclosed
US-20140315947-A1 PHARMACEUTICAL COMPOSITION WITH ENHANCED EFFICACY FOR INHIBITING ANGIOGENESIS INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-10-23 US 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-20140315947-A1 PHARMACEUTICAL COMPOSITION WITH ENHANCED EFFICACY FOR INHIBITING ANGIOGENESIS UQCRB, UQCRC1, UQCRC2 HSD17B2 3640/4885HSD17B3 3047/4885PTPN5 1951/4885

“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.