SCHEMBL10193081

SCHEMBL10193081

CCC(C)(C)c1ccc(C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NFE2L2 Q16236 1/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
UBE2N P61088 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACHE P22303 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PTGS1 P23219 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
SCHEMBL20089653 0.84 KIF11 (0.43) KIF11CYP11B1CYP11B2SMN1; SMN2NFE2L2
SCHEMBL18768788 0.84 SMN1; SMN2 (0.34) KIF11SMN1; SMN2NFE2L2MEN1KMT2A
SCHEMBL15801226 0.82 KIF11 (0.42) KIF11CYP11B1CYP11B2SMN1; SMN2NFE2L2
SCHEMBL17552743 0.82 RIPK1 (0.41) CYP11B1CYP11B2KDM4E
SCHEMBL441485 0.79 KIF11 (0.44) KIF11CYP11B1CYP11B2SMN1; SMN2NFE2L2
SCHEMBL22140197 0.78 SMN1; SMN2 (0.37) KIF11CYP11B1CYP11B2SMN1; SMN2MEN1
SCHEMBL6090490 0.78 KIF11 (0.42) KIF11CYP11B1CYP11B2SMN1; SMN2NFE2L2
SCHEMBL22140230 0.78 KIF11 (0.42) KIF11NFE2L2HTT
SCHEMBL19225796 0.78 MAPT (0.35) CYP11B1CYP11B2MAPT
SCHEMBL18648002 0.78 HDAC3 (0.39) MAPK1HTTNPSR1

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 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 (7 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KIF11 2545/4885CYP11B1 1654/4885CYP11B2 2464/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 KIF11 2002/4885CYP11B1 3010/4885CYP11B2 2870/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 KIF11 3614/4885CYP11B1 3380/4885CYP11B2 3067/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KIF11 3776/4885CYP11B1 273/4885CYP11B2 246/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 KIF11 1497/4885CYP11B1 2256/4885CYP11B2 2978/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 KIF11 4684/4885CYP11B1 4768/4885CYP11B2 4763/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KIF11 3776/4885CYP11B1 273/4885CYP11B2 246/4885

“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.