SCHEMBL19170652

SCHEMBL19170652

CC(C)c1cc(F)c(C(C)(C)C)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
PDE2A O00408 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL19170721 0.85 CYP2C9 (0.33) TP53CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL24985319 0.85 PDE2A (0.40) PTGS2PDE2ALMNAGABRA1GABRB1
SCHEMBL22768024 0.82 EIF4A3 (0.34) PDE2ASMN1; SMN2
SCHEMBL21901895 0.80 TP53 (0.31) TP53CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL8295701 0.79 GABRA1 (0.39) PTGS2PDE2ATP53SMN1; SMN2LMNA
SCHEMBL15701548 0.79 SMN1; SMN2 (0.38) PTGS2TP53CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13699139 0.78 EIF4A3 (0.34) PDE2ASMN1; SMN2
SCHEMBL18350805 0.77 LMNA (0.42) PTGS2PDE2ATP53LMNAGABRA1
SCHEMBL17083896 0.77 SMN1; SMN2 (0.37) PTGS2TP53CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12309968 0.77 GABRA1 (0.38) PTGS2PDE2ATP53CYP2C9SMN1; SMN2

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-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 US disclosed
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2022-08-18 US disclosed
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2020-04-23 US disclosed
US-9950076-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 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-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 PTGS2 1278/4885PDE2A 224/4885TP53 1257/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 PTGS2 1278/4885PDE2A 224/4885TP53 1257/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 PTGS2 1278/4885PDE2A 224/4885TP53 1257/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR PTGS2 1369/4885PDE2A 304/4885TP53 1124/4885

“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.