SCHEMBL9962258

SCHEMBL9962258

Cc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@@H]2c2ccc(OC[C@H](O)CO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KIF11 P52732 11/20 0.46
ABCG2 Q9UNQ0 2/20 0.44
LMNA P02545 3/20 0.44
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL8403566 1.00 TP53 (0.47) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL9962076 0.95 MAPT (0.48) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL9962075 0.95 MAPT (0.48) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8403521 0.95 MAPT (0.48) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8403526 0.94 TP53 (0.53) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8403509 0.93 ABCG2 (0.49) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL9962060 0.92 TP53 (0.46) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL9962113 0.92 TP53 (0.46) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8403507 0.92 TP53 (0.54) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8403475 0.92 ABCG2 (0.49) TP53MAPTSMN1; SMN2KIF11ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703726-B2 Methods for treating prostate conditions PTC THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-20120202801-A1 METHODS FOR TREATING BREAST CANCER PTC THERAPEUTICS, INC. 2012-08-09 US disclosed
US-20120178707-A1 METHODS FOR TREATING PROSTRATE CONDITIONS PTC THERAPEUTICS, INC. 2012-07-12 US disclosed
US-20120157400-A1 METHODS FOR TREATING KAPOSI SARCOMA PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157402-A1 METHODS FOR TREATING BRAIN TUMORS PTC THERAPEUTICS, INC. 2012-06-21 US disclosed
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS PTC THERAPEUTICS, INC. 2012-06-21 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 (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-20120157402-A1 METHODS FOR TREATING BRAIN TUMORS HDGF, VEGFA, FLT4 TP53 61/4885MAPT 1046/4885SMN1; SMN2 2143/4885
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS VHL, NGF, VEGFA TP53 99/4885MAPT 3613/4885SMN1; SMN2 512/4885
US-20120157400-A1 METHODS FOR TREATING KAPOSI SARCOMA HDGF, HIF1AN, VEGFA TP53 17/4885MAPT 3684/4885SMN1; SMN2 2479/4885
US-20120202801-A1 METHODS FOR TREATING BREAST CANCER VEGFA, FLT4, FLT1 TP53 34/4885MAPT 3448/4885SMN1; SMN2 4595/4885
US-20120178707-A1 METHODS FOR TREATING PROSTRATE CONDITIONS ACP3, BPHL, PTGFR TP53 380/4885MAPT 1384/4885SMN1; SMN2 4698/4885

“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.