SCHEMBL20153902

SCHEMBL20153902

CC(C)(C)NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
TACR1 P25103 8/20 0.43
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
TP53BP1 Q12888 1/20 0.39
DAO P14920 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
ADRB2 P07550 1/20 0.36
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL15432467 0.82 TAAR1 (0.57) IDO1KMT2ATP53BP1DAOCTSL
Ammonia Solution, Strong SCHEMBL28048257 0.81 TAAR1 (0.56) IDO1KMT2ATP53BP1DAOCTSL
SCHEMBL24999176 0.81 TAAR1 (0.52) IDO1KMT2ADAOKCNH2
SCHEMBL15432486 0.80 IDO1 (0.48) IDO1TACR1ADRB2RHOCRHOA
SCHEMBL2895602 0.80 KMT2A (0.47) IDO1TACR1KMT2APAX8DAO
Hydrochloric Acid SCHEMBL6545522 0.78 KMT2A (0.46) IDO1TACR1KMT2APAX8DAO
SCHEMBL2600179 0.73 IDO1 (0.48) IDO1TACR1KMT2APAX8DAO
SCHEMBL29664562 0.72 CYP3A4 (0.47) KMT2AADRB2
SCHEMBL14176505 0.72 NPC1 (0.44) IDO1KMT2A
SCHEMBL19300959 0.72 SIGMAR1 (0.46) IDO1TACR1KMT2APAX8DAO

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059801-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-13 US disclosed
US-20200317635-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-08 US disclosed
US-10669253-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-02 US disclosed
US-10464925-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US disclosed
US-20190071415-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-07 US disclosed
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-17 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 (6 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-20190071415-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP IDO1 3745/4885TACR1 3951/4885KMT2A 3123/4885
US-11059801-B2 Methods to induce targeted protein degradation through bifunctional molecules CRBN, XIAP, MDM2 IDO1 3386/4885TACR1 4234/4885KMT2A 3294/4885
US-10464925-B2 Methods to induce targeted protein degradation through bifunctional molecules CRBN, MDM2, MYCBP IDO1 3745/4885TACR1 3951/4885KMT2A 3123/4885
US-10669253-B2 Methods to induce targeted protein degradation through bifunctional molecules CRBN, SMARCE1, MDM2 IDO1 4494/4885TACR1 4631/4885KMT2A 1673/4885
US-20200317635-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP IDO1 3745/4885TACR1 3951/4885KMT2A 3123/4885
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP IDO1 3745/4885TACR1 3951/4885KMT2A 3123/4885

“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.