SCHEMBL6512443

SCHEMBL6512443

NCCCCNCCCF

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.72
CA6 P23280 5/20 0.72
CA7 P43166 5/20 0.72
CA9 Q16790 5/20 0.72
CA14 Q9ULX7 5/20 0.72
CA5B Q9Y2D0 5/20 0.72
CA2 P00918 4/20 0.72
CA4 P22748 4/20 0.72
CA5A P35218 4/20 0.72
ALOX15 P16050 3/20 0.72
CA3 P07451 3/20 0.72
F13A1 P00488 2/20 0.72
CYP1A2 P05177 2/20 0.72
THPO P40225 2/20 0.72
CA1 P00915 2/20 0.72
CYP2C9 P11712 1/20 0.72
PKM P14618 1/20 0.72
TSHR P16473 1/20 0.72
MTOR P42345 1/20 0.72
LMNA P02545 3/20 0.68

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
SCHEMBL24690237 0.88
SCHEMBL323273 0.87 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL448382 0.87 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL732232 0.87 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL2012007 0.87 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL322518 0.87 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL138047 0.87 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL16295924 0.84 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL16281062 0.84 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL5078139 0.84 CA12 (0.87) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050233948-A1 Drug complex for treatment of metastatic prostate cancer BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2005-10-20 US claimed
US-20030035804-A1 Drug complex for treatment of metastatic prostate cancer BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2003-02-20 US claimed
US-6368598-B1 ADMINISTERING COMPLEX OF POLYAMINE CARRIER, DRUG AND CONNECTOR JCRT RADIATION ONCOLOGY SUPPORT SERVICES, INC. 2002-04-09 US claimed
WO-2000001419-A1 DRUG COMPLEX FOR TREATMENT OF METASTATIC PROSTATE CANCER JCRT RADIATION ONCOLOGY SUPPORT SERVICES, INC. (US) 2000-01-13 WO claimed
US-20050233948-A1 Drug complex for treatment of metastatic prostate cancer BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2005-10-20 US disclosed
US-20030035804-A1 Drug complex for treatment of metastatic prostate cancer BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2003-02-20 US disclosed
US-6368598-B1 ADMINISTERING COMPLEX OF POLYAMINE CARRIER, DRUG AND CONNECTOR JCRT RADIATION ONCOLOGY SUPPORT SERVICES, INC. 2002-04-09 US disclosed
WO-2000001419-A1 DRUG COMPLEX FOR TREATMENT OF METASTATIC PROSTATE CANCER JCRT RADIATION ONCOLOGY SUPPORT SERVICES, INC. (US) 2000-01-13 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-20050233948-A1 Drug complex for treatment of metastatic prostate cancer KLK3, ACP3, FOLH1 CA12 141/4885CA6 283/4885CA7 572/4885
US-20030035804-A1 Drug complex for treatment of metastatic prostate cancer KLK3, ACP3, FOLH1 CA12 141/4885CA6 283/4885CA7 572/4885

“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.