SCHEMBL4272874

SCHEMBL4272874

Cc1nccc(NC=O)c1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCR1 P32246 2/20 0.31
CCR5 P51681 2/20 0.31
CCR8 P51685 2/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM5A P29375 2/20 0.30
P2RX7 Q99572 1/20 0.30
PABPC1 P11940 1/20 0.30

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
SCHEMBL10430438 0.76 P2RX7 (0.41) MAPTNPSR1ALDH1A1LMNATSHR
SCHEMBL4449227 0.74 ROCK2 (0.37) CCR1CCR5CCR8CYP2A6PDE3B
SCHEMBL27876065 0.73 CCR1 (0.50) ESR2CCR1CCR5CCR8ALDH1A1
SCHEMBL21598449 0.72 CA12 (0.37) CCR1CCR5CCR8CYP2A6P2RX7
SCHEMBL30147759 0.72 CA12 (0.37) CCR1CCR5CCR8CYP2A6P2RX7
SCHEMBL27578120 0.72 CYP2A6 (0.31) CYP2A6PDE3BPDE3AHTTSMN1; SMN2
SCHEMBL16919108 0.72 CCR1 (0.34) CCR1CCR5CCR8CYP2A6ALDH1A1
SCHEMBL5514299 0.72 TSHR (0.44) ESR2MAPTMAPK1NPSR1ALDH1A1
SCHEMBL8801086 0.71 PIK3C3 (0.48) MAPTALDH1A1TSHR
SCHEMBL28874982 0.68 ALDH1A1 (0.30) ALDH1A1

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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-5478830-A Pyrazolo pyrimidines; inhibitors of acyl-coenzyme A and cholesterol acyltransferase; antihypercholesterolemic agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-26 US disclosed
US-4002638-A ANALGESICS, MUSCLE RELAXANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-01-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 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 (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-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG ESR2 2842/4885MAPT 1432/4885MAPK1 3278/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG ESR2 2842/4885MAPT 1432/4885MAPK1 3278/4885

“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.