SCHEMBL177671

SCHEMBL177671

SCC(Cl)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
CYP19A1 P11511 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KCNA5 P22460 5/20 0.40
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNN4 O15554 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
CYP17A1 P05093 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL28831206 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL2113776 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL20818104 0.78 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1242475 0.76 CFTR (0.58) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL360267 0.76
SCHEMBL26419784 0.76 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL177954 0.76 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL178057 0.76 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL25005918 0.76 CFTR (0.44) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL30273386 0.76 CFTR (0.44) CFTRSLC6A2SLC6A4SLC6A3GOPC

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
EP-2390243-B1 PROCESS FOR PREPARING BISPHENOL MITSUBISHI CHEM CORP (JP) 2020-07-08 EP disclosed
US-8445731-B2 Process for producing bisphenol compound MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-21 US disclosed
US-20120010434-A1 PROCESS FOR PRODUCING BISPHENOL COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2012-01-12 US disclosed
EP-2390243-A1 PROCESS FOR PREPARING BISPHENOL Mitsubishi Chemical Corporation (JP) 2011-11-30 EP disclosed
US-20110256982-A1 INTERLOCK CIRCUIT FOR UTILITY VEHICLE PARK BRAKE DEERE & COMPANY 2011-10-20 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-20120010434-A1 PROCESS FOR PRODUCING BISPHENOL COMPOUND SULT2A1, SULT1A1, PLPBP CFTR 3179/4885SLC6A2 2843/4885SLC6A4 1187/4885

“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.