SCHEMBL20290100

SCHEMBL20290100

Cc1cnc2sc(I)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.38
IKBKB O14920 1/20 0.36
KDM4E B2RXH2 2/20 0.34
PSMD14 O00487 1/20 0.34
COPS5 Q92905 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
GAA P10253 1/20 0.31
KAT2B Q92831 1/20 0.30
PARP1 P09874 1/20 0.30
BACE1 P56817 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
SCHEMBL7920736 0.79 CCR1 (0.45) CCR1CCR5CCR8CYP1A2IKBKB
SCHEMBL8310528 0.71 NPC1 (0.32) GAA
SCHEMBL18342663 0.69 EGFR (0.33)
SCHEMBL23846490 0.69 IKBKB (0.51) CCR1CCR5CCR8IKBKBKDM4E
SCHEMBL14232405 0.67 IKBKB (0.53) CCR1CCR5CCR8CYP1A2IKBKB
SCHEMBL14707165 0.67 CCR1 (0.45) CCR1CCR5CCR8CYP1A2IKBKB
SCHEMBL12483324 0.65 CCR1 (0.48) CCR1CCR5CCR8CYP1A2IKBKB
SCHEMBL7921134 0.65 SMN1; SMN2 (0.43) CCR1CCR5CCR8CYP1A2IKBKB
SCHEMBL24611854 0.65 CYP2A6 (0.55) CCR1CCR5CCR8CYP1A2KDM4E
SCHEMBL8312255 0.65 CYP1A2 (0.42) CCR1CCR5CCR8CYP1A2

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-11858904-B2 Process for preparing large size isoxazoline particles INTERVET INC. (JE) 2024-01-02 US disclosed
US-20230310386-A1 INJECTABLE PHARMACEUTICAL COMPOSITIONS AND USES THEREOF INTERVET INC. (US) 2023-10-05 US disclosed
US-20230233530-A1 IMPLANTABLE ISOXAZOLINE PHARMACEUTICAL COMPOSITIONS AND USES THEREOF INTERVET INC. (US) 2023-07-27 US disclosed
US-11648238-B2 Implantable isoxazoline pharmaceutical compositions and uses thereof INTERVET INC. (US) 2023-05-16 US disclosed
US-11179372-B2 Isoxazoline solution containing vitamin E for use with sanitized drinking water INTERVET INC. (US) 2021-11-23 US disclosed
US-20210354283-A1 ISOXAZOLINE SOLUTION CONTAINING VITAMIN E FOR USE WITH SANITIZED DRINKING WATER INTERVET INC. (US) 2021-11-18 US disclosed
US-20210177808-A1 INJECTABLE ISOXAZOLINE PHARMACEUTICAL COMPOSITIONS AND THEIR USE AGAINST PARASITE INFESTATION INTERVET INC. (US) 2021-06-17 US disclosed
US-20210161867-A1 Implantable Isoxazoline Pharmaceutical Compositions and Uses Thereof INTERVET INC. (US) 2021-06-03 US disclosed
US-20200390748-A1 Antiparasitic Pour-On Compositions INTERVET INC. (US) 2020-12-17 US disclosed
US-20200331867-A1 Process for Preparing Large Size Isoxazoline Particles INTERVET INC. (US) 2020-10-22 US disclosed
US-20190343808-A1 ISOXAZOLINE SOLUTION CONTAINING VITAMIN E FOR USE WITH SANITIZED DRINKING WATER INTERVET INC. (US) 2019-11-14 US disclosed
US-20180169073-A1 ISOXAZOLINE SOLUTION CONTAINING VITAMIN E FOR USE WITH SANITIZED DRINKING WATER INTERVET INC. (US) 2018-06-21 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 (11 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-20210177808-A1 INJECTABLE ISOXAZOLINE PHARMACEUTICAL COMPOSITIONS AND THEIR USE AGAINST PARASITE INFESTATION INA, MMP1, EPX CCR1 2867/4885CCR5 818/4885CCR8 3389/4885
US-11858904-B2 Process for preparing large size isoxazoline particles PDE8A, RPS4X, MRPS27 CCR1 4258/4885CCR5 3050/4885CCR8 3991/4885
US-11179372-B2 Isoxazoline solution containing vitamin E for use with sanitized drinking water PROC, EPX, CYP27B1 CCR1 3662/4885CCR5 3132/4885CCR8 3718/4885
US-20200331867-A1 Process for Preparing Large Size Isoxazoline Particles PDE8A, RPS4X, MRPS27 CCR1 4258/4885CCR5 3050/4885CCR8 3991/4885
US-20190343808-A1 ISOXAZOLINE SOLUTION CONTAINING VITAMIN E FOR USE WITH SANITIZED DRINKING WATER PROC, EPX, CYP27B1 CCR1 3662/4885CCR5 3132/4885CCR8 3718/4885
US-20230310386-A1 INJECTABLE PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CYP3A7, PDE8A, CYP4X1 CCR1 1400/4885CCR5 161/4885CCR8 1205/4885
US-20180169073-A1 ISOXAZOLINE SOLUTION CONTAINING VITAMIN E FOR USE WITH SANITIZED DRINKING WATER PROC, EPX, CYP27B1 CCR1 3662/4885CCR5 3132/4885CCR8 3718/4885
US-20230233530-A1 IMPLANTABLE ISOXAZOLINE PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CYP3A7, PIGS, CYP4X1 CCR1 3839/4885CCR5 1314/4885CCR8 3990/4885
US-20200390748-A1 Antiparasitic Pour-On Compositions PIGS, ARG1, ARG2 CCR1 2552/4885CCR5 512/4885CCR8 3800/4885
US-11648238-B2 Implantable isoxazoline pharmaceutical compositions and uses thereof CYP3A7, PIGS, CYP4X1 CCR1 3839/4885CCR5 1314/4885CCR8 3990/4885
US-20210161867-A1 Implantable Isoxazoline Pharmaceutical Compositions and Uses Thereof CYP3A7, PIGS, CYP4X1 CCR1 3839/4885CCR5 1314/4885CCR8 3990/4885

“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.