SCHEMBL2082017

SCHEMBL2082017

CN1CCN(S(=O)(=O)c2cc(F)ccc2CN)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL12778130 0.87 KDM4E (0.56) TSHRPKML3MBTL1ALDH1A1MAPT
SCHEMBL4034882 0.87 TSHR (0.56) TSHRPKMALDH1A1MAPTKDM4E
SCHEMBL12778101 0.86 KDM4E (0.58) TSHRPKML3MBTL1ALDH1A1MAPT
SCHEMBL12778087 0.86 KDM4E (0.58) TSHRPKML3MBTL1ALDH1A1MAPT
SCHEMBL2080940 0.83 PTGDR2 (0.48) TSHRPKMALDH1A1KDM4EHTR2A
SCHEMBL2081348 0.83 CNR1 (0.50) TSHRPKMMAPTKDM4ESMN1; SMN2
SCHEMBL12778056 0.81 SMN1; SMN2 (0.49) TSHRPKMKDM4EHTR2AHTR2C
SCHEMBL12778147 0.80 SMN1; SMN2 (0.40) TSHRPKMALDH1A1MAPTKDM4E
SCHEMBL2077950 0.80 PKM (0.43) TSHRPKMALDH1A1KDM4EGAA
SCHEMBL14345604 0.80 ALDH1A1 (0.44) TSHRPKML3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
WO-2007143446-A1 SPIRO-CONDENSED HETEROTRICYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-13 WO disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 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-20070281917-A1 HIV Integrase Inhibitors TYMP, POLN, IMPDH1 TSHR 4836/4885PKM 1713/4885L3MBTL1 2696/4885

“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.