SCHEMBL18092820

SCHEMBL18092820

NC(=O)c1cc(Cl)c(-c2ccccc2C(F)(F)F)c(-c2ccccc2C(F)(F)F)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK10 O94804 2/20 0.44
▸ SLK Q9H2G2 2/20 0.44
▸ PDK2 Q15119 3/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ SCN9A Q15858 5/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ STK39 Q9UEW8 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPK8 P45983 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
SCHEMBL16704113 0.82 PDK2 (0.43) STK10SLKPDK2PARP1SCN9A
SCHEMBL28916377 0.81 BCAT2 (0.42) PDK2SCN9AKMT2AKDM4EMEN1
SCHEMBL16704104 0.80 SCN9A (0.41) STK10SLKPDK2PARP1SCN9A
SCHEMBL16704020 0.78 NPC1 (0.47) PDK2PARP1SCN9AALDH1A1HPGD
SCHEMBL16704193 0.76 PARP1 (0.39) PDK2PARP1SCN9ASCN10AMAPK8
SCHEMBL25436660 0.74 KDM4E (0.44) PDK2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL27600108 0.74 PDK2 (0.41) PDK2SCN9AKMT2AKDM4EMEN1
SCHEMBL30608075 0.73 PARP1 (0.56) PDK2PARP1SCN9AKDM4EALDH1A1
SCHEMBL5143960 0.73 PARP1 (0.56) PDK2PARP1SCN9AKDM4EALDH1A1
SCHEMBL4776516 0.71 PARP1 (0.52) PDK2PARP1SCN9AALDH1A1HPGD

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-20210275549-A1 NOVEL FORMULATIONS AEROMICS, INC. (US) 2021-09-09 — — US disclosed
CN-112402434-A New formula 埃罗米克斯公司 2021-02-26 — — CN disclosed
CN-112370456-A New formula 埃罗米克斯公司 2021-02-19 — — CN disclosed
US-10894055-B2 Pharmaceutical compositions, methods of making pharmaceutical compositions, and kits comprising 2-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}4-chlorophenyl dihydrogen phosphate AEROMICS, INC. (US) 2021-01-19 — — US disclosed
US-20190307779-A1 NOVEL FORMULATIONS AEROMICS, INC. (US) 2019-10-10 — — US disclosed
EP-3454846-A1 CRYSTALS Aeromics, Inc. (US) 2019-03-20 — — EP disclosed
WO-2017197371-A1 CRYSTALS AEROMICS, INC. (US) 2017-11-16 — — WO disclosed
US-20160279155-A1 NOVEL FORMULATIONS AEROMICS, INC. (US) 2016-09-29 — — 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 (4 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-20210275549-A1 NOVEL FORMULATIONS DCPS, PRCP, DCTPP1 STK10 4042/4885SLK 3745/4885PDK2 922/4885
US-20190307779-A1 NOVEL FORMULATIONS DCPS, PRCP, DCTPP1 STK10 4042/4885SLK 3745/4885PDK2 922/4885
US-20160279155-A1 NOVEL FORMULATIONS AQP1, AQP4, AQP3 STK10 3060/4885SLK 3442/4885PDK2 1366/4885
US-10894055-B2 Pharmaceutical compositions, methods of making pharmaceutical compositions, and kits comprising 2-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}4-chlorophenyl dihydrogen phosphate PLCG2, DCPS, DCTPP1 STK10 3370/4885SLK 2630/4885PDK2 676/4885

“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.

Send feedback