SCHEMBL7671144

SCHEMBL7671144

C[C@H](NC(=O)N1CCC[C@H]1C(O)=S)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 5/20 0.48
▸ METAP2 P50579 1/20 0.47
▸ METAP1 P53582 1/20 0.47
▸ SSTR4 P31391 2/20 0.47
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ LTC4S Q16873 2/20 0.43
▸ FKBP1A P62942 1/20 0.42

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
SCHEMBL8334816 1.00 CASR (0.48) CASRMETAP2METAP1SSTR4LMNA
SCHEMBL9239748 0.91 ITGB3 (0.50) CASRMETAP2METAP1SSTR4LMNA
SCHEMBL7671141 0.88 METAP2 (0.48) CASRMETAP2METAP1SSTR4LMNA
SCHEMBL14304105 0.77 CCR1 (0.61) FKBP1A
SCHEMBL15665589 0.77 SSTR4 (0.56) CASRMETAP2METAP1SSTR4LMNA
SCHEMBL15665222 0.77 SSTR4 (0.56) CASRMETAP2METAP1SSTR4LMNA
SCHEMBL15665657 0.77 SSTR4 (0.56) CASRMETAP2METAP1SSTR4LMNA
SCHEMBL15665069 0.77 SSTR4 (0.56) CASRMETAP2METAP1SSTR4LMNA
SCHEMBL15665221 0.77 SSTR4 (0.56) CASRMETAP2METAP1SSTR4LMNA
SCHEMBL15665071 0.77 SSTR4 (0.56) CASRMETAP2METAP1SSTR4LMNA

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-20020049199-A1 N-linked carbamates and ureas of heterocyclic thioesters GLIAMED, INC. 2002-04-25 — — US claimed
US-20020049199-A1 N-linked carbamates and ureas of heterocyclic thioesters GLIAMED, INC. 2002-04-25 — — US disclosed
US-6274607-B1 INHIBITORS OF PEPTIDYL-PROLYL ISOMERASE, OR ROTAMASE ENZYME ACTIVITY; DO NOT EXERT ANY IMMUNOSUPPRESSIVE ACTIVITY IN ADDITION TO THEIR NEUROTROPHIC ACTIVITY; BIOAVAILABILITY; POTENCY GPI NIL HOLDINGS, INC. 2001-08-14 — — US disclosed
US-5958949-A INHIBITORS OF THE ENZYME ACTIVITY ASSOCIATED WITH IMMUNOPHILIN PROTEINS, PARTICULARLY PEPTIDYL-PROLYL ISOMERASE, OR ROTAMASE, ENZYME ACTIVITY; TREATMENT OF NERVOUS SYSTEM DISORDERS GPI NIL HOLDINGS INC. (US) 1999-09-28 — — 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 (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-20020049199-A1 N-linked carbamates and ureas of heterocyclic thioesters FKBP8, FKBP1A, FKBP3 CASR 4673/4885METAP2 360/4885METAP1 277/4885

“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.

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