SCHEMBL10001176

SCHEMBL10001176

CC(C)(C)C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
P2RX7 Q99572 2/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
JAK2 O60674 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PKM P14618 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
SCHEMBL2625461 0.83 CES2 (0.58) ERCC5FEN1KMT2ACES2CES1
SCHEMBL11652748 0.82 TSHR (0.61) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL3876824 0.82 MAPK1 (0.38) TSHRMEN1MAPK1KMT2AALDH1A1
SCHEMBL13851527 0.81 CES2 (0.42) TSHRP2RX7CES2CES1ALDH1A1
SCHEMBL16981795 0.81 TSHR (0.41) TSHRMEN1MAPK1KMT2ACES2
SCHEMBL13152008 0.81 POLB (0.41) TSHRP2RX7KMT2ACES2CES1
SCHEMBL3349200 0.80 TSHR (0.55) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL2369282 0.80 TSHR (0.59) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL10587371 0.78 TSHR (0.57) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL699212 0.77 TSHR (0.65) TSHRTAS1R3TAS1R1TAS1R2ERCC5

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-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US disclosed
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2021-06-10 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 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 (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-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 TSHR 4073/4885TAS1R3 4300/4885TAS1R1 4599/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 TSHR 4283/4885TAS1R3 3550/4885TAS1R1 4396/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 TSHR 4087/4885TAS1R3 4292/4885TAS1R1 4599/4885

“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.