SCHEMBL7121567

SCHEMBL7121567

O=C(NC1(CO)CCCCC1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.56
CTSL P07711 4/20 0.56
CTSB P07858 3/20 0.56
CTSK P43235 4/20 0.47
ALDH1A1 P00352 3/20 0.47
ADRB2 P07550 2/20 0.47
HTT P42858 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 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
SCHEMBL648487 0.99 CTSS (0.54) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL24187757 0.96 CTSL (0.51) CTSSCTSLCTSBALDH1A1HTT
SCHEMBL381668 0.93 CTSL (0.50) CTSSCTSLCTSBALDH1A1HTT
Hydrochloric Acid SCHEMBL8890541 0.89 CTSS (0.54) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL2722740 0.87 CTSS (0.55) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL4110578 0.87 CTSS (0.55) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL3339610 0.86 TLR2 (0.47) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL3333808 0.86 TLR2 (0.47) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL584447 0.86 MEN1 (0.47) CTSSCTSLCTSBALDH1A1HTT
Hydrochloric Acid SCHEMBL19641048 0.86 TLR2 (0.47) CTSSCTSLCTSBCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 CTSS 4748/4885CTSL 4690/4885CTSB 4544/4885

“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.