SCHEMBL178165

SCHEMBL178165

CCCC(S)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
KCNA5 P22460 2/20 0.41
KCNN4 O15554 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
TBXAS1 P24557 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL178146 0.85 SMN1; SMN2 (0.51) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL16919628 0.81 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL659775 0.81 CFTR (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11337414 0.79 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL21770565 0.79 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL24919838 0.79 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL23689571 0.79 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL7523392 0.79 SMN1; SMN2 (0.43) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL16774716 0.78 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL23970158 0.78 TBXAS1 (0.56) 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.