SCHEMBL7219686

SCHEMBL7219686

CCCC[Sn](CCCC)(CCCC)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CES2 O00748 5/20 0.38
CES1 P23141 5/20 0.38
TP53 P04637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 3/20 0.35
AKR1B1 P15121 1/20 0.35
ALOX15 P16050 2/20 0.34
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33

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
SCHEMBL5132104 0.78 CES1 (0.41) CA1CES2CES1TP53MEN1
SCHEMBL9848119 0.77 TDP1 (0.35) CA1CA2CES2CES1TP53
SCHEMBL18421166 0.76 CES1 (0.40) CA1CES2CES1TP53MEN1
SCHEMBL727984 0.76 AKR1B1 (0.42) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL29229151 0.74 CES2 (0.38) CA1CES2CES1TP53MEN1
SCHEMBL8002430 0.72 AKR1B1 (0.39) CA2CES2CES1MEN1KMT2A
SCHEMBL28559823 0.72 CES1 (0.42) CA1CES2CES1TP53MEN1
SCHEMBL11856586 0.72 AKR1B1 (0.39) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL7894375 0.72 NAAA (0.37) CES2CES1TP53MEN1KMT2A
SCHEMBL16667107 0.70 HCAR2 (0.33) CES1MEN1KMT2AALDH1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6517811-B2 Diagnosing a mammal for presence of a tumor by administering compounds such as 125-I-(2-piperidinylaminoethyl)-4-iodobenzamide which have an affinity for cell surface sigma receptors RESEARCH CORPORATION TECHNOLOGIES, INC. 2003-02-11 US disclosed
US-6447748-B1 Benzamide compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-09-10 US disclosed
US-20010006619-A1 Compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2001-07-05 US disclosed
US-6015543-A DIAGNOSIS OF TUMORS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-01-18 US disclosed
US-5993777-A Benzamide compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-11-30 US disclosed
US-5911970-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-06-15 US disclosed
WO-1996032968-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN CHRISTY S (US) 1996-10-24 WO disclosed
EP-0650372-A4 COMPOUNDS FOR CANCER IMAGING AND THERAPY. JOHN CHRISTY S (US) 1996-07-03 EP disclosed
EP-0650372-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN, Christy S. (US) 1995-05-03 EP disclosed
WO-1994026314-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN CHRISTY S (US) 1994-11-24 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 (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-20010006619-A1 Compounds for cancer imaging and therapy SIGMAR1, TMEM97, ADRB3 CA1 2848/4885CA2 3276/4885CES2 2086/4885

“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.