SCHEMBL22160201

SCHEMBL22160201

Fc1ccc(-c2cc3cc(C(F)(F)F)ccc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.46
HPN P05981 2/20 0.44
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP19A1 P11511 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL17548599 0.87 PTGDR2 (0.46) CYP1A1PTGDR2CTSVCTSLMAPT
SCHEMBL15058606 0.85 CYP19A1 (0.58) PTGDR2MAPTKDM4EALDH1A1KMT2A
SCHEMBL30869753 0.83 CYP1A1 (0.68) CYP1A1HPNCTSVCTSLMAPT
SCHEMBL16382912 0.79 SMN1; SMN2 (0.52) CYP1A1PTGDR2HPNMAPTKDM4E
SCHEMBL6585488 0.77 CYP19A1 (0.70) CYP1A1HPNCTSVCTSLMAPT
SCHEMBL6585157 0.77 MEN1 (0.70) CYP1A1CTSVCTSLMAPTKDM4E
SCHEMBL17199124 0.77 CYP1A1 (0.60) CYP1A1HPNCTSVCTSLMAPT
SCHEMBL4893046 0.77 NPC1 (0.65) MAPTKDM4EALDH1A1KMT2ANPC1
SCHEMBL18470546 0.77 CYP1A1 (0.57) CYP1A1CTSVCTSLMAPTKDM4E
SCHEMBL30047184 0.77 NPC1 (0.65) MAPTKDM4EALDH1A1KMT2ANPC1

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
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-11618746-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-04 US disclosed
US-20200377479-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmacéuticals Incorporated 2020-12-03 US disclosed
WO-2020131807-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-25 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-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 CYP1A1 4701/4885PTGDR2 3493/4885HPN 415/4885
US-11618746-B2 Inhibitors of APOL1 and methods of using same APOL1, APOB, NPC1L1 CYP1A1 4371/4885PTGDR2 2980/4885HPN 638/4885
US-20200377479-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, SAAL1, LOXL1 CYP1A1 3701/4885PTGDR2 3383/4885HPN 1265/4885

“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.