SCHEMBL12778135

SCHEMBL12778135

CC1CN(S(=O)(=O)c2cc(F)ccc2CN)CC(C)N1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 4/20 0.37
▸ HTR2C P28335 4/20 0.37
▸ PKM P14618 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL12778147 0.85 SMN1; SMN2 (0.40) SMN1; SMN2RXFP1KDM4ETSHRHTR2A
SCHEMBL4034882 0.78 TSHR (0.56) SMN1; SMN2RXFP1KDM4ETSHRHTR2A
SCHEMBL12778130 0.78 KDM4E (0.56) SMN1; SMN2KDM4ETSHRHTR2AHTR2C
SCHEMBL2080940 0.77 PTGDR2 (0.48) ALOX5APFEN1KDM4ETSHRHTR2A
SCHEMBL2082017 0.77 TSHR (0.49) SMN1; SMN2RXFP1KDM4ETSHRHTR2A
SCHEMBL12778134 0.77 HTR2A (0.43) ALOX5APFEN1SMN1; SMN2AKR1C3KDM4E
SCHEMBL12778101 0.77 KDM4E (0.58) SMN1; SMN2KDM4ETSHRHTR2AHTR2C
SCHEMBL12778087 0.77 KDM4E (0.58) SMN1; SMN2KDM4ETSHRHTR2AHTR2C
SCHEMBL12778091 0.76 TDO2 (0.47) ALOX5APFEN1SMN1; SMN2RXFP1HTR2A
SCHEMBL12778056 0.75 SMN1; SMN2 (0.49) ALOX5APFEN1SMN1; SMN2RXFP1KDM4E

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-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
WO-2007059229-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 — — WO disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — US disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — 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-20070111985-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 ALOX5AP 3308/4885FEN1 11/4885SMN1; SMN2 4032/4885

“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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