SCHEMBL3568972

SCHEMBL3568972

C[C@@H](NC(=O)C(F)c1ccc2cc(C(=O)O)sc2c1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PRCP P42785 2/20 0.41
RPA1 P27694 1/20 0.39
FFAR2 O15552 1/20 0.39
PRSS12 P56730 2/20 0.39
OPRM1 P35372 1/20 0.39
BCL2L1 Q07817 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER4 P35408 2/20 0.37
PTGER2 P43116 1/20 0.37
PHGDH O43175 1/20 0.37
THRB P10828 1/20 0.36
PDE2A O00408 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
CHRNA7 P36544 2/20 0.36

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
SCHEMBL3574131 1.00 ALDH1A1 (0.41) ALDH1A1PRCPRPA1FFAR2PRSS12
SCHEMBL3568970 1.00 ALDH1A1 (0.41) ALDH1A1PRCPRPA1FFAR2PRSS12
SCHEMBL3566907 0.91 BCL2L1 (0.46) ALDH1A1BCL2L1
SCHEMBL3566904 0.91 BCL2L1 (0.46) ALDH1A1BCL2L1
SCHEMBL3569538 0.84 PRSS12 (0.47) ALDH1A1RPA1FFAR2PRSS12OPRM1
SCHEMBL3572720 0.81 HDAC1 (0.42) RPA1PRSS12OPRM1SMN1; SMN2
SCHEMBL3573993 0.81 BCL2L1 (0.45) BCL2L1HDAC8CHRNA7
SCHEMBL3566027 0.77 BCL2L1 (0.46) PRCPOPRM1BCL2L1HDAC8
SCHEMBL3576583 0.77 ALDH1A1 (0.40) ALDH1A1PRSS12HDAC8
SCHEMBL3562088 0.75 BCL2L1 (0.49) BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US claimed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US claimed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 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-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 ALDH1A1 826/4885PRCP 1471/4885RPA1 4466/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 ALDH1A1 914/4885PRCP 2775/4885RPA1 3849/4885

“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.