SCHEMBL688480

SCHEMBL688480

O=C1Cc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2N1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.79
TDP1 Q9NUW8 2/20 0.66
MAPT P10636 1/20 0.65
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 2/20 0.60
IDO1 P14902 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL2593870 0.88 PKM (1.00) PKMKDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL4408806 0.86 PKM (0.69) PKMTDP1MAPTGAAIDO1
SCHEMBL4405155 0.86 PKM (0.65) PKMTDP1MAPTGAAIDO1
SCHEMBL24152385 0.85 PKM (0.62) PKMTDP1MAPTLMNAGAA
SCHEMBL24152859 0.84 PKM (0.65) PKMTDP1MAPTKMT2AGAA
SCHEMBL2585585 0.82 PKM (1.00) PKMTDP1MAPTLMNAGAA
SCHEMBL5840708 0.81 MAOB (0.56) PKMMAPTLMNAGAAIDO1
SCHEMBL5636293 0.79 PKM (0.73) PKMTDP1MAPTLMNASMN1; SMN2
SCHEMBL5841997 0.79 PKM (0.80) PKMTDP1MAPTLMNASMN1; SMN2
SCHEMBL5167999 0.78 PKM (0.65) PKMTDP1MAPTGAAIDO1

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
EP-2123649-B1 3-PYRROLO-CYCLOHEXYLENE-2-DIHYDRO-INDOLINONE DERIVATIVES AND USES THEREOF JIANGSU SIMCERE PHARMACEUTICAL R & D CO LTD (CN) 2012-02-29 EP disclosed
US-8084621-B2 3-Pyrrolo[b]cyclohexylene-2-dihydroindolinone derivatives and uses thereof Jiangsu Simcere Pharmaceutical R&D Co. Ltd. (CN) 2011-12-27 US disclosed
US-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof JIANGSU SIMCERE PHARMACEUTICAL R&D CO., LTD. (CN) 2010-06-24 US disclosed
EP-2123649-A1 3-PYRROLO-CYCLOHEXYLENE-2-DIHYDRO-INDOLINONE DERIVATIVES AND USES THEREOF Jiangsu Simcere Pharmaceutical R&D Co., Ltd. (CN) 2009-11-25 EP 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-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof PTK2B, DMPK, STK25 PKM 211/4885TDP1 2429/4885MAPT 3596/4885

“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.