SCHEMBL4133046

SCHEMBL4133046

NC(=O)c1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
CES2 O00748 4/20 0.41
CES1 P23141 1/20 0.41
KIF11 P52732 2/20 0.40
MAOB P27338 1/20 0.37
EPHX2 P34913 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
PLAU P00749 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IKBKB O14920 1/20 0.36
SRD5A2 P31213 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7000102 0.82 SRD5A2 (0.46) CES2CES1EPHX2KDM4EALDH1A1
SCHEMBL29129043 0.81 ALDH1A1 (0.43) KMT2AKIF11EPHX2ALDH1A1IKBKB
SCHEMBL5759258 0.80 ALDH1A1 (0.44) CES2CES1KIF11EPHX2KDM4E
SCHEMBL17046292 0.77 CFTR (0.47) CES2CES1EPHX2KDM4EALDH1A1
SCHEMBL15654666 0.74 KCNN4 (0.38) CES2CES1MAOBPLAUALDH1A1
SCHEMBL5780333 0.73 ALDH1A1 (0.41) KMT2ACES2CES1KIF11MAOB
SCHEMBL2991244 0.73 KIF11 (0.51) KMT2ACES2CES1KIF11EPHX2
SCHEMBL7304754 0.71 PARP10 (0.41) KMT2AALDH1A1HSD17B10
SCHEMBL27459481 0.71 GABRP (0.34) KMT2ACES2CES1KDM4EALDH1A1
SCHEMBL3609237 0.69 NPC1 (0.38) KMT2ACES2CES1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042899-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase LEHR PHILIPP 2009-02-12 US claimed
US-7439362-B2 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2008-10-21 US claimed
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2006-03-09 US claimed
EP-1492782-A1 PIPERAZINYL- OR PIPERIDINYLAMINE-SULFAMIC ACID AMIDES AS INHIBITORS OF STEROID SULFATASE Novartis AG (CH) 2005-01-05 EP claimed
WO-2003082842-A1 PIPERAZINYL- OR PIPERIDINYLAMINE-SULFAMIC ACID AMIDES AS INHIBITORS OF STEROID SULFATASE NOVARTIS AG (CH) 2003-10-09 WO claimed
US-20090042899-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase LEHR PHILIPP 2009-02-12 US disclosed
US-7439362-B2 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2008-10-21 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2006-03-09 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1492782-A1 PIPERAZINYL- OR PIPERIDINYLAMINE-SULFAMIC ACID AMIDES AS INHIBITORS OF STEROID SULFATASE Novartis AG (CH) 2005-01-05 EP disclosed
WO-2003082842-A1 PIPERAZINYL- OR PIPERIDINYLAMINE-SULFAMIC ACID AMIDES AS INHIBITORS OF STEROID SULFATASE NOVARTIS AG (CH) 2003-10-09 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-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS KMT2A 1910/4885CES2 2841/4885CES1 1575/4885
US-20090042899-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase STS, SULT2A1, ARSA KMT2A 1044/4885CES2 483/4885CES1 93/4885
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase STS, SELENOI, SULT2A1 KMT2A 1492/4885CES2 447/4885CES1 78/4885

“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.