SCHEMBL1970481

SCHEMBL1970481

CS(=O)(=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
PTGS2 P35354 1/20 0.57
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
AKR1C3 P42330 1/20 0.55
RECQL P46063 1/20 0.55
GPR119 Q8TDV5 4/20 0.53
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL12826096 0.98 LMNA (0.59) LMNASMN1; SMN2MAPK1HTTPTGS2
SCHEMBL18405938 0.88 LMNA (0.50) LMNASMN1; SMN2MAPK1HTTPTGS2
SCHEMBL4523736 0.83 LMNA (0.61) LMNASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL6867994 0.82 AKR1C3 (0.71) MAPK1HTTMAPTALDH1A1AKR1C3
SCHEMBL28536241 0.82 AKR1C3 (0.54) LMNASMN1; SMN2MAPK1HTTMAPT
SCHEMBL28170767 0.82 AKR1C3 (0.58) LMNAMAPTALDH1A1AKR1C3GPR119
Bromide SCHEMBL3846722 0.81 LMNA (0.59) LMNASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL10395260 0.81 L3MBTL3 (0.69) ALDH1A1GPR119KDM4EL3MBTL1
SCHEMBL532144 0.81 ALDH1A1 (0.69) LMNAALDH1A1AKR1C3GPR119KDM4E
SCHEMBL22495385 0.81 MAPT (0.58) LMNASMN1; SMN2MAPK1HTTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028636-A Triazolopyrimidine compounds and their use for the treatment of cancer 迪哲(江苏)医药股份有限公司 2022-09-09 CN disclosed
CN-107205972-A Substituted N- (2- (amino) -2-oxoethyl) benzamide inhibitors of autotaxin and their preparation and use in the treatment of LPA-dependent or LPA-mediated diseases X-RX股份有限公司 2017-09-26 CN disclosed
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
US-8476225-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-07-02 US disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
CN-102639500-A Tricyclic compound, preparation method and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2012-08-15 CN disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 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 (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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 LMNA 4635/4885SMN1; SMN2 785/4885MAPK1 880/4885

“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.