SCHEMBL7509868

SCHEMBL7509868

CC(=O)Sc1ccccc1CCC(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ACHE P22303 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ IAPP P10997 3/20 0.37
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CHRM1 P11229 1/20 0.31

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
SCHEMBL3110101 0.85 CA12 (0.51) CA12CA1CA2CA4CA7
SCHEMBL10585673 0.81 CA12 (0.50) CA12CA1CA2CA4CA7
SCHEMBL5880381 0.78 CYP4F2 (0.61) CA12CA1CA2CA4CA7
SCHEMBL12419024 0.78 CA12 (0.55) CA12CA1CA2CA4CA7
SCHEMBL7442231 0.77 LMNA (0.37) ALDH1A1LMNAIAPPCYP4F2CYP4A11
SCHEMBL4601863 0.74 CYP4F2 (0.47) ALDH1A1LMNAIAPPCYP4F2CYP4A11
SCHEMBL4601007 0.73 TAAR1 (0.50) ALDH1A1CYP4F2CYP4A11
SCHEMBL7346534 0.72 POLB (0.38) CA12CA1CA2CA4CA7
SCHEMBL7346532 0.71 EPHX2 (0.40) CA12CA1CA2CA4CA7
SCHEMBL171971 0.71 CA12 (0.47) CA12CA1CA2CA4CA7

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-6486315-B2 RECRYSTALLIZING MERCAPTOALKANOYLAMINO LACTAM ACID UNDER BASIC CONDITIONS USING AN AGENT THAT MINIMIZES AMOUNT OF DISULFIDES BRISTOL-MYERS SQUIBB CO. 2002-11-26 — — US disclosed
US-6444810-B1 ACYLMERCAPTOALKANOYLAMINO LACTAM ESTERS OR ACIDS ARE CONVERTED TO THE CORRESPONDING MERCAPTOALKANOYLAMINO LACTAM ESTER OR ACID UNDER BASIC CONDITIONS USING AN AGENT THAT MINIMIZES AMOUNT OF DISULFIDES BRISTOL-MYERS SQUIBB CO. 2002-09-03 — — US disclosed
EP-1051419-A4 DEPROTECTION AND RECRYSTALLIZATION PROCESSES BRISTOL MYERS SQUIBB CO (US) 2002-08-28 — — EP disclosed
US-20020086995-A1 Recrystallization processes KRONENTHAL DAVID R (US) 2002-07-04 — — US disclosed
US-20020086994-A1 Acylmercaptoalkanoylamino lactam esters or acids are converted to the corresponding mercaptoalkanoylamino lactam ester or acid under basic conditions using an agent that minimizes amount of disulfides KRONENTHAL DAVID R (US) 2002-07-04 — — US disclosed
US-6340752-B1 CLEAVAGE OF THIO GROUP FROM CARBONYL AND CONVERSION TO LACTAM ESTER BRISTOL-MYERS SQUIBB CO. 2002-01-22 — — US disclosed
EP-1051419-A1 DEPROTECTION AND RECRYSTALLIZATION PROCESSES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-15 — — EP disclosed
WO-1999035145-A1 DEPROTECTION AND RECRYSTALLIZATION PROCESSES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-15 — — 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 (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-20020086994-A1 Acylmercaptoalkanoylamino lactam esters or acids are converted to the corresponding mercaptoalkanoylamino lactam ester or acid under basic conditions using an agent that minimizes amount of disulfides MPST, PTMS, TST CA12 357/4885CA1 491/4885CA2 1024/4885
US-20020086995-A1 Recrystallization processes MPST, TST, SLC39A11 CA12 896/4885CA1 1207/4885CA2 1740/4885

“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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