SCHEMBL977041

SCHEMBL977041

C=CCNS(=O)(=O)N(CCC)C(=O)c1cc(N=C=O)c(F)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.31
RAB9A P51151 1/20 0.31
RORC P51449 4/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL973561 0.91 HTT (0.31) HPGDRAB9A
SCHEMBL974813 0.83 HPGD (0.33) HPGDRAB9APDK1PDK2PDK3
SCHEMBL975290 0.80 VCAM1 (0.36) HPGDRAB9APDK1PDK2PDK3
SCHEMBL977040 0.78 SCN9A (0.34) RORCCYP2C19
SCHEMBL10481252 0.73 HSP90AA1 (0.38) RAB9A
SCHEMBL9877599 0.73 HSP90AA1 (0.38) RAB9A
SCHEMBL3544332 0.71 POLB (0.33) HPGDCYP2C19
SCHEMBL973560 0.70 SCN9A (0.34) CYP2C19
SCHEMBL974515 0.69 SCN9A (0.43) CYP2C19
SCHEMBL9423172 0.67 POLB (0.37) HPGDRAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541611-B2 Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation BASF AKTIENGESELLSCHAFT (DE) 2013-09-24 US disclosed
US-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2012-10-25 US disclosed
US-8232421-B2 Bifunctional phenyl ISO (THIO) cyanates, processes and intermediates for their preparation BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-7820846-B2 by phosgenation of an aminobenzoylsulfamic acid amide intermediate; prepared from a p-nitrobenzoyl chloride or benzoate and a sulfamic acid amide and reducing the nitrobenzoylsulfamic acid amide; isocyanates are crop protection agents BASF AKTIENGESELLSCHAFT (DE) 2010-10-26 US disclosed
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
EP-1560810-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-08-10 EP disclosed
WO-2004039768-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 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 (3 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-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION TST, IDO1, TMT1A HPGD 492/4885RAB9A 2533/4885RORC 1828/4885
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION TST, IDO1, IDO2 HPGD 477/4885RAB9A 2395/4885RORC 1532/4885
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation TST, TMT1A, IDO1 HPGD 582/4885RAB9A 2508/4885RORC 1665/4885

“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.