SCHEMBL2390195

SCHEMBL2390195

CCOC(=O)c1cc(O)c2cc(Br)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.54
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BCL2L1 Q07817 1/20 0.50
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRB2 P47870 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ELANE P08246 2/20 0.44
HSD17B2 P37059 1/20 0.44

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
SCHEMBL2932838 0.89 BCL2L1 (0.53) PTPN11CA12CA1CA2CA7
SCHEMBL2176596 0.84 LCK (0.55) PTPN11CA12CA1CA2CA7
SCHEMBL2390984 0.83 HSD17B2 (0.52) PTPN11CA12CA1CA2CA7
SCHEMBL30260014 0.83 PTPN11 (0.54) PTPN11CA12CA1CA2CA7
SCHEMBL2390084 0.81 ALDH1A1 (0.46) PTPN11CA12CA1CA2CA7
SCHEMBL163865 0.81 CA12 (0.57) PTPN11CA12CA1CA2CA7
SCHEMBL4079402 0.80 CA12 (0.56) PTPN11CA12CA1CA2CA7
Acetic Acid SCHEMBL11123129 0.80 LMNA (0.51) PTPN11CA12CA1CA2CA7
SCHEMBL8347077 0.79 SMN1; SMN2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL11124330 0.79 NPC1 (0.53) PTPN11CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244460-A1 ANTIVIRAL COMPOUNDS Janssen Pharmaceuticals, Inc. 2016-08-25 US disclosed
US-20160244460-A1 ANTIVIRAL COMPOUNDS Janssen Pharmaceuticals, Inc. 2016-08-25 US disclosed
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed
US-7053071-B2 For therapy of leukemia or other forms of cancer or for treating disease conditions caused by apoptosis of cells THE BURNHAM INSTITUTE (US) 2006-05-30 US disclosed
EP-1456165-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS The Burnham Institute (US) 2004-09-15 EP disclosed
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 US disclosed
WO-2003048101-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS THE BURNHAM INSTITUTE (US) 2003-06-12 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 (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-20160244460-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PTPN11 2423/4885CA12 4108/4885CA1 4791/4885
US-20030176506-A1 Induction of apoptosis in cancer cells MCL1, BAD, BCL2 PTPN11 2842/4885CA12 2413/4885CA1 1420/4885

“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.